November 12th, 11am - 1pm
Scaffold hopping remains a central task in medicinal chemistry for generating and protecting intellectual property. This hands-on workshop will focus on quickly generating novel ideas and bioisosteres for molecule cores using Spark. The standard functionality of Spark™ as well as advanced search options will be presented. Topics include the choice of databases to search, how to link searches and results to available databases, using excluded volumes, field point and pharmacophore constraints to incorporate relevant protein information in the search.
Hands-on: If you wish to follow along in this hands-on workshop then please bring a laptop (a download link to Spark will be provided before the event if needed)
Why attend: Learn essential skills to enhance your comp chem toolbox; Facilitate increased engagement with your computational chemistry team; Network with peers; Meet Cresset experts
Who should attend: Medicinal, synthetic and computational chemists. Some familiarity with Spark an advantage.
Location: Charles Room, 14th Floor, CIC, 1 Broadway, Cambridge MA
Complete registration form to secure your place at this workshop.
Charles Room, 14th Floor, CIC, 1 Broadway, Cambridge MA.